LAIO, ALESSANDRO

LAIO, ALESSANDRO  

Dipartimento di Scienze Chimiche e Farmaceutiche  

Personale esterno ed autonomi  

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Risultati 1 - 19 di 19 (tempo di esecuzione: 0.016 secondi).
Titolo Data di pubblicazione Autori File
A consensus protocol for the in silico optimisation of antibody fragments 1-gen-2019 Medagli, BarbaraLaio, AlessandroFortuna, Sara +
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 1-gen-2015 Rodriguez, AONESTI, Silvia Caterina ElviraLaio, AlessandroTorre, Vincent +
Automatic topography of high-dimensional data sets by non-parametric density peak clustering 1-gen-2021 d'Errico M.Laio A.Rodriguez Garcia A. +
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories 1-gen-2018 Fortuna, SaraLaio, Alessandro +
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations 1-gen-2021 Rodriguez Garcia, A.Laio, A. +
Clustering by fast search-and-find of density peaks 1-gen-2014 Rodriguez Alex, A.Laio, Alessandro
Computational Evolution Protocol for Peptide Design 1-gen-2022 Ivan GladichNikola MinovskiAlejandro Rodriguez GarciaSara FortunaAlessandro Laio +
Computing the Free Energy without Collective Variables 1-gen-2018 Rodriguez, AlexD'Errico, MariaLaio, Alessandro +
DADApy: Distance-based analysis of data-manifolds in Python 1-gen-2022 Doimo, DiegoRodriguez, AlejandroLaio, Alessandro +
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 1-gen-2017 D'Errico, MariaRodriguez, AlexLaio, Alessandro +
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons 1-gen-2020 Rodriguez A.Laio A. +
Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT 1-gen-2014 Rodriguez A.Laio, Alessandro +
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations 1-gen-2017 Laio, AlessandroRodriguez, Alex +
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates 1-gen-2016 Rodriguez, AlexLaio, Alessandro +
Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment 1-gen-2018 Guida, FilomenaGladich, IvanBuzzo, MauroGiodini, LucianaToffoli, GiuseppeLaio, AlessandroBerti, Federico +
Predicting amino acid substitution probabilities using single nucleotide polymorphisms 1-gen-2017 Rodriguez, AlexLaio, Alessandro +
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 1-gen-2014 Rodriguez, AlexLaio, Alessandro +
The permeation mechanism of organic cations through a CNG mimic channel 1-gen-2018 Rodriguez, AlexOnesti, SilviaLaio, AlessandroTorre, Vincent +
Unsupervised Learning Methods for Molecular Simulation Data 1-gen-2021 Rodriguez Garcia A.Laio A. +